(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H16FNOS — CID 59378892

IUPAC(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)[C@@H]1CCCc2cc(Sc3ccccc3)cc(F)c21
InChIInChI=1S/C17H16FNOS/c18-15-10-13(21-12-6-2-1-3-7-12)9-11-5-4-8-14(16(11)15)17(19)20/h1-3,6-7,9-10,14H,4-5,8H2,(H2,19,20)/t14-/m1/s1
InChIKeyNSVGZZINJRKEQQ-CQSZACIVSA-N
MW301.39 g/mol
LogP3.88
Rot. Bonds3

About (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59378892) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59378892
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)[C@@H]1CCCc2cc(Sc3ccccc3)cc(F)c21
InChIInChI=1S/C17H16FNOS/c18-15-10-13(21-12-6-2-1-3-7-12)9-11-5-4-8-14(16(11)15)17(19)20/h1-3,6-7,9-10,14H,4-5,8H2,(H2,19,20)/t14-/m1/s1
InChIKeyNSVGZZINJRKEQQ-CQSZACIVSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59378892) is (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC(=O)[C@@H]1CCCc2cc(Sc3ccccc3)cc(F)c21.
What is the InChIKey of (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is NSVGZZINJRKEQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-15-10-13(21-12-6-2-1-3-7-12)9-11-5-4-8-14(16(11)15)17(19)20/h1-3,6-7,9-10,14H,4-5,8H2,(H2,19,20)/t14-/m1/s1.
What are the key properties of (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59378892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).